UCSF

ZINC17747365

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 19 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 3.8 -47 2 5 -1 85 259.285 5
Lo Low (pH 4.5-6) 2.06 2.41 -25.2 3 5 0 82 260.293 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )